4306-0613 Screening compound: 2-amino-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-1-(2-methylphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

4306-0613 Screening compound: 2-amino-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-1-(2-methylphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4306-0613 Screening compound: 2-amino-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-1-(2-methylphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4306-0613
2-amino-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-1-(2-methylphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4306-0613

Molecular Formula

C29H27N3OS2 (C29 H27 N3 OS2)

Compound Name

2-amino-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-1-(2-methylphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

2-amino-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-1-(2-methylphenyl)-5-oxo-7-phenyl-145678-hexahydroquinoline-3-carbonitrile

SMILES

Cc1cc(C(C(C(C2)=O)=C3CC2c2ccccc2)C(C#N)=C(N)N3c2c(C)cccc2)c(SC)s1

InChI

InChI=1S/C29H27N3OS2/c1-17-9-7-8-12-23(17)32-24-14-20(19-10-5-4-6-11-19)15-25(33)27(24)26(22(16-30)28(32)31)21-13-18(2)35-29(21)34-3/h4-13,20,26H,14-15,31H2,1-3H3

InChI Key

GHLNRGIZCWMQEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.68

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.510

Distribution Coefficient, logD

6.510

Water Solubility, LogSw

-5.60

Polar Surface Area

52.823

Acid Dissociation Constant (pKa)

15.38

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.10

4306-0613 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4306-0613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4306-0613?
Check Price and Availability of 4306-0613, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4306-0613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4306-0613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4306-0613
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4306-0613 available by request